Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8015699 | 0.84 | PKM (0.44) | CYP1A2CYP2C19PKMMAPTALDH1A1 | |
| SCHEMBL4306380 | 0.82 | CYP1A2 (0.43) | CYP1A2CYP2C19MAPTALDH1A1KMT2A | |
| SCHEMBL4304995 | 0.82 | CYP1A2 (0.43) | CYP1A2CYP2C19MAPTALDH1A1KMT2A | |
| SCHEMBL4308531 | 0.81 | LMNA (0.43) | CYP1A2CYP2C19MAPTALDH1A1KMT2A | |
| SCHEMBL4311981 | 0.79 | LMNA (0.44) | CYP1A2CYP2C19MAPTALDH1A1KMT2A | |
| SCHEMBL4306412 | 0.76 | KMT2A (0.42) | MAPTALDH1A1KMT2ARAB9ASMN1; SMN2 | |
| SCHEMBL4302800 | 0.76 | CDYL2 (0.49) | PKMMAPTALDH1A1KMT2ARAB9A | |
| SCHEMBL16320824 | 0.74 | ALDH1A1 (0.42) | CYP1A2CYP2C19MAPTALDH1A1RAB9A | |
| SCHEMBL4301396 | 0.73 | KMT2A (0.43) | MAPTALDH1A1KMT2ARAB9AKDM4E | |
| SCHEMBL4302813 | 0.73 | ALDH1A1 (0.35) | CYP1A2CYP2C19PKMMAPTALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009130231-A1 | PYRROLO [1, 2-A] PYRAZINE DERIVATIVES AS VASOPRESSIN VIB RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2009-10-29 | — | — | WO | disclosed |
| WO-2009130231-A1 | PYRROLO [1, 2-A] PYRAZINE DERIVATIVES AS VASOPRESSIN VIB RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2009-10-29 | — | — | WO | disclosed |